W352403

3,5,5-Trimethylhexanal

≥95%, FG

• Synonym(s): Green hexanal
• Linear Formula: (CH₃)₃CCH₂CH(CH₃)CH₂CHO
• CAS Number: 5435-64-3
• Molecular Weight: 142.24
• FEMA Number: 3524
• EC Number: 226-603-0
• Council of Europe no.: 10384
• MDL number: MFCD00010441
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901761
• Flavis number: 5.116
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• Agency: follows IFRA guidelines
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002
• Assay: ≥95%
• refractive index: n20/D 1.421 (lit.)
• bp: 67-68 °C/2.5 mmHg (lit.)
• density: 0.817 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• Organoleptic: earthy
• SMILES string: CC(CC=O)CC(C)(C)C
• InChI: 1S/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3
• InChI key: WTPYRCJDOZVZON-UHFFFAOYSA-N

Description

General description

3,5,5-Trimethylhexanal is an aliphatic aldehyde mainly used as an internal standard to quantify the volatile aldehydes in the root tissues of plants.

Application

• Analysis, occurrence and potential sensory significance of aliphatic aldehydes in white wines.: Culleré et al. (2011) explore the presence and sensory impact of aliphatic aldehydes, including 3,5,5-trimethylhexanal, in white wines. The study highlights the role of these compounds in contributing to the aroma and flavor profiles of wines, emphasizing their importance in food chemistry and sensory science (Culleré et al., 2011).

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226 - H315 - H317 - H412
• Precautionary Statements: P210 - P233 - P240 - P273 - P280 - P303 + P361 + P353
• Hazard Classifications: Aquatic Chronic 3 - Flam. Liq. 3 - Skin Irrit. 2 - Skin Sens. 1
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 93.2 °F - closed cup
• Flash Point(C): 34 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves